1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol

C16H17BrFNO2 — CID 60900397

IUPAC1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
SMILESCc1ccc(F)c(NCC(O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrFNO2/c1-11-2-7-15(18)16(8-11)19-9-13(20)10-21-14-5-3-12(17)4-6-14/h2-8,13,19-20H,9-10H2,1H3
InChIKeyWWXBBTQPACFMFG-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.75
Rot. Bonds6

About 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol

1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol (PubChem CID 60900397) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
PubChem CID60900397
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
SMILESCc1ccc(F)c(NCC(O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrFNO2/c1-11-2-7-15(18)16(8-11)19-9-13(20)10-21-14-5-3-12(17)4-6-14/h2-8,13,19-20H,9-10H2,1H3
InChIKeyWWXBBTQPACFMFG-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
CID 60898264
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol (CID 60900397) is 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol is Cc1ccc(F)c(NCC(O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
The InChIKey is WWXBBTQPACFMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-11-2-7-15(18)16(8-11)19-9-13(20)10-21-14-5-3-12(17)4-6-14/h2-8,13,19-20H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol has a molecular weight of 354.22 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol is sourced from PubChem (CID 60900397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).